#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 2.73 -0.02 -1.55 5.65 -1.26 -5.11 115.29 115.73 2k2r s HIS 2 Ca 0.00 -1.66 0.00 0.00 0.25 0.00 0.00 55.06 53.66 2k2r s HIS 2 Cb 0.00 -1.86 0.02 0.00 -1.18 0.00 0.00 32.58 29.56 2k2r s HIS 2 CO 0.00 -0.79 0.01 -1.83 -0.65 0.00 0.00 174.74 171.47 2k2r s GLU 3 N 1.30 0.17 -0.20 2.88 1.03 -1.26 -5.09 118.70 117.54 2k2r s GLU 3 Ca 0.03 0.08 -0.30 0.00 0.03 0.00 0.00 54.97 54.81 2k2r s GLU 3 Cb -0.14 -0.35 -0.08 0.00 -0.80 0.00 0.00 34.13 32.77 2k2r s GLU 3 CO -0.12 -0.11 2.15 0.54 -1.33 0.00 0.00 175.26 176.39 2k2r n ARG 4 N 3.94 1.93 0.00 -4.83 1.74 -1.26 -4.87 116.66 113.31 2k2r n ARG 4 Ca -0.25 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2k2r n ARG 4 Cb 0.52 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 2k2r n ARG 4 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k2r n ASP 5 N 10.28 0.00 -0.06 0.55 -0.08 -1.26 -5.00 116.55 120.97 2k2r n ASP 5 Ca 0.30 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.52 2k2r n ASP 5 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.80 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N 1.00 0.02 -1.13 -1.67 0.00 -2.00 -3.30 119.26 112.19 2k2r h ALA 6 Ca 0.00 -0.31 0.33 0.00 0.00 0.00 0.00 54.91 54.92 2k2r h ALA 6 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2k2r h ALA 6 CO 0.00 0.14 0.83 0.27 0.00 0.00 0.00 179.25 180.48 2k2r h PHE 7 N -1.00 0.00 0.01 0.00 -0.00 -1.96 0.23 116.94 114.22 2k2r h PHE 7 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.94 2k2r h PHE 7 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.41 2k2r h PHE 7 CO 0.05 0.00 -0.01 0.22 -0.00 0.00 0.00 178.31 178.57 2k2r h ASP 8 N 0.00 -0.02 0.86 -0.68 3.58 -1.92 -1.37 116.42 116.88 2k2r h ASP 8 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2k2r h ASP 8 Cb 2.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.24 2k2r h ASP 8 CO -0.01 -0.01 0.00 0.74 -2.88 0.00 0.00 179.24 177.08 2k2r h THR 9 N -0.02 0.00 -0.00 2.25 2.02 -1.49 0.67 112.91 116.34 2k2r h THR 9 Ca -0.00 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 2k2r h THR 9 Cb 0.01 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2k2r h THR 9 CO 0.00 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.74 2k2r h LEU 10 N 0.00 0.07 0.00 2.58 3.38 -0.56 -0.14 115.31 120.63 2k2r h LEU 10 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2k2r h LEU 10 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k2r h LEU 10 CO 0.00 0.84 -0.27 0.49 0.09 0.00 0.00 178.44 179.58 2k2r n PHE 11 N -4.65 0.03 0.55 1.13 3.01 -0.52 -2.24 117.46 114.77 2k2r n PHE 11 Ca -0.09 0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.43 2k2r n PHE 11 Cb 0.42 -0.38 -0.07 0.00 -0.01 0.00 0.00 39.48 39.44 2k2r n PHE 11 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k2r n ASP 12 N -1.53 0.56 -0.97 4.37 9.92 0.22 -4.78 116.55 124.34 2k2r n ASP 12 Ca 0.06 -0.78 -0.07 0.00 -0.53 0.00 0.00 54.79 53.48 2k2r n ASP 12 Cb 0.34 1.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.75 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2k2r n HIS 13 N -1.27 0.00 -2.70 1.24 -0.00 -0.08 -4.98 115.22 107.44 2k2r n HIS 13 Ca 0.02 -0.47 -0.06 0.00 0.46 0.00 0.00 57.72 57.67 2k2r n HIS 13 Cb 0.18 0.49 0.07 0.00 -0.12 0.00 0.00 29.99 30.61 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N 0.00 -2.53 0.41 1.57 0.00 -0.95 -4.89 120.51 114.12 2k2r n ALA 14 Ca -0.26 -0.79 0.11 0.00 0.00 0.00 0.00 53.44 52.49 2k2r n ALA 14 Cb 0.68 -2.39 0.47 0.00 0.00 0.00 0.00 19.45 18.21 2k2r n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2r n PRO 15 N 1.30 0.17 -0.08 0.00 -0.05 -1.25 -2.23 135.00 132.86 2k2r n PRO 15 Ca 0.03 0.40 -0.13 0.00 -0.05 0.00 0.00 63.50 63.75 2k2r n PRO 15 Cb 0.69 -1.82 -0.10 0.00 -0.05 0.00 0.00 33.50 32.22 2k2r n PRO 15 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2k2r h ASP 16 N 0.00 0.00 -0.09 3.54 3.32 -1.93 -3.30 116.42 117.96 2k2r h ASP 16 Ca 0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.38 2k2r h ASP 16 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2k2r h ASP 16 CO 0.00 1.04 -0.07 0.11 -1.72 0.00 0.00 179.24 178.60 2k2r h LYS 17 N -1.00 0.36 -0.98 3.56 1.57 -1.93 -1.24 116.57 116.92 2k2r h LYS 17 Ca -0.10 -0.08 0.21 0.00 -1.87 0.00 0.00 60.65 58.81 2k2r h LYS 17 Cb 0.89 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.06 2k2r h LYS 17 CO -0.06 0.45 0.62 1.25 -0.57 0.00 0.00 179.45 181.14 2k2r h LEU 18 N 0.35 0.59 0.16 2.94 6.46 -1.57 1.26 115.31 125.49 2k2r h LEU 18 Ca 0.07 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2k2r h LEU 18 Cb 0.35 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2k2r h LEU 18 CO 0.02 0.20 -0.07 -1.13 -0.62 0.00 0.00 178.44 176.84 2k2r h ASN 19 N 0.57 -0.18 0.04 1.25 -1.24 -1.31 -2.69 115.58 112.03 2k2r h ASN 19 Ca 0.54 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 2k2r h ASN 19 Cb 1.10 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 2k2r h ASN 19 CO -0.29 0.37 -0.03 0.58 -1.29 0.00 0.00 177.43 176.77 2k2r h VAL 20 N -0.84 0.96 -0.33 2.57 2.07 -0.97 -1.91 116.25 117.80 2k2r h VAL 20 Ca -0.02 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2k2r h VAL 20 Cb 0.53 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2k2r h VAL 20 CO 0.04 0.03 -0.00 0.58 0.02 0.00 0.00 177.57 178.24 2k2r h VAL 21 N 0.00 1.26 -0.50 2.57 2.07 0.16 -1.37 116.25 120.44 2k2r h VAL 21 Ca -0.00 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2k2r h VAL 21 Cb 0.06 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2k2r h VAL 21 CO 0.00 0.31 0.28 0.50 0.02 0.00 0.00 177.57 178.68 2k2r h LYS 22 N 0.38 0.71 -0.11 1.57 3.64 -1.03 -1.31 116.57 120.42 2k2r h LYS 22 Ca 0.09 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2k2r h LYS 22 Cb 0.45 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k2r h LYS 22 CO 0.02 0.55 0.12 0.87 -2.27 0.00 0.00 179.45 178.74 2k2r h LYS 23 N 0.67 0.00 0.02 1.90 1.57 -1.01 -0.03 116.57 119.70 2k2r h LYS 23 Ca 0.18 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.74 2k2r h LYS 23 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2k2r h LYS 23 CO -0.03 0.00 -0.95 1.15 -0.57 0.00 0.00 179.45 179.05 2k2r h THR 24 N 0.00 1.49 0.00 -0.16 2.02 -0.11 -2.49 112.91 113.65 2k2r h THR 24 Ca 0.05 -2.68 -0.09 0.00 0.77 0.00 0.00 66.41 64.46 2k2r h THR 24 Cb 0.29 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2k2r h THR 24 CO -0.00 0.79 -0.42 -0.07 0.37 0.00 0.00 175.52 176.19 2k2r h LEU 25 N 0.13 0.00 -0.77 2.58 3.38 -0.69 -1.97 115.31 117.96 2k2r h LEU 25 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2k2r h LEU 25 Cb 1.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2k2r h LEU 25 CO 0.15 0.42 0.07 0.40 0.09 0.00 0.00 178.44 179.56 2k2r h ILE 26 N 0.00 1.26 -0.67 1.22 2.04 -0.81 -2.26 117.51 118.28 2k2r h ILE 26 Ca -0.00 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 2k2r h ILE 26 Cb 0.93 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2k2r h ILE 26 CO 0.05 0.38 0.23 0.74 0.00 0.00 0.00 178.15 179.55 2k2r h THR 27 N 0.93 1.24 0.28 -0.27 2.02 -0.94 0.78 112.91 116.96 2k2r h THR 27 Ca 0.18 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2k2r h THR 27 Cb 0.45 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2k2r h THR 27 CO 0.02 0.32 -0.24 0.15 0.37 0.00 0.00 175.52 176.14 2k2r h PHE 28 N 0.99 -0.63 -0.35 3.16 3.57 -1.03 -1.29 116.94 121.36 2k2r h PHE 28 Ca 0.22 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2k2r h PHE 28 Cb 0.26 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2k2r h PHE 28 CO 0.02 -0.36 0.07 0.28 -2.23 0.00 0.00 178.31 176.09 2k2r h VAL 29 N -0.54 1.23 -0.05 1.41 2.07 -1.34 -1.95 116.25 117.08 2k2r h VAL 29 Ca -0.02 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2k2r h VAL 29 Cb 0.48 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k2r h VAL 29 CO -0.03 0.27 0.28 -1.13 0.02 0.00 0.00 177.57 176.98 2k2r h ASN 30 N 0.41 0.00 0.03 0.57 -0.73 -0.56 1.06 115.58 116.36 2k2r h ASN 30 Ca 0.11 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 2k2r h ASN 30 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.93 2k2r h ASN 30 CO 0.00 0.00 -0.01 0.50 -0.37 0.00 0.00 177.43 177.55 2k2r h LYS 31 N 0.00 -0.04 0.00 6.67 3.64 -0.44 2.47 116.57 128.87 2k2r h LYS 31 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k2r h LYS 31 Cb 0.58 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2k2r h LYS 31 CO -0.00 0.34 -0.04 0.45 -2.27 0.00 0.00 179.45 177.93 2k2r h HIS 32 N -0.99 0.00 0.10 1.91 3.86 -1.04 -1.92 115.15 117.06 2k2r h HIS 32 Ca -0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 2k2r h HIS 32 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2k2r h HIS 32 CO 0.10 0.04 -0.98 -0.07 0.86 0.00 0.00 177.93 177.88 2k2r h LEU 33 N 0.00 0.31 -1.30 2.43 3.38 0.11 -3.21 115.31 117.03 2k2r h LEU 33 Ca -0.00 -0.87 0.16 0.00 0.09 0.00 0.00 57.88 57.26 2k2r h LEU 33 Cb 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2k2r h LEU 33 CO 0.01 1.44 0.84 -1.13 0.09 0.00 0.00 178.44 179.68 2k2r h ASN 34 N -0.50 0.00 1.00 -0.43 -0.73 0.50 0.59 115.58 116.01 2k2r h ASN 34 Ca -0.21 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.91 2k2r h ASN 34 Cb 1.56 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.16 2k2r h ASN 34 CO 0.05 0.00 -0.48 0.11 -0.37 0.00 0.00 177.43 176.75 2k2r h LYS 35 N 0.00 -1.29 0.00 6.67 6.56 -1.43 0.16 116.57 127.24 2k2r h LYS 35 Ca 0.26 0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2k2r h LYS 35 Cb 1.93 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 33.89 2k2r h LYS 35 CO -0.00 -0.86 0.00 -0.11 -2.06 0.00 0.00 179.45 176.42 2k2r n LEU 36 N -5.63 0.00 -3.38 2.94 7.94 0.18 -4.87 117.00 114.18 2k2r n LEU 36 Ca -0.17 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.62 2k2r n LEU 36 Cb 0.53 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.48 2k2r n LEU 36 CO 0.40 0.00 0.09 -0.46 -1.11 0.00 0.00 177.39 176.31 2k2r n ASN 37 N -0.71 -6.51 0.00 1.96 0.23 0.54 -5.03 115.26 105.74 2k2r n ASN 37 Ca 0.07 -0.49 0.00 0.00 -0.53 0.00 0.00 54.58 53.63 2k2r n ASN 37 Cb 0.03 -3.84 0.00 0.00 -2.08 0.00 0.00 39.78 33.89 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -2.32 0.00 -3.36 -4.53 7.99 -1.17 -4.95 117.00 108.66 2k2r n LEU 38 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.90 2k2r n LEU 38 Cb 0.58 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.86 2k2r n LEU 38 CO 0.58 0.00 0.47 -0.70 -1.51 0.00 0.00 177.39 176.23 2k2r s GLU 39 N 2.00 0.37 0.22 3.23 2.12 -1.26 -4.67 118.70 120.70 2k2r s GLU 39 Ca 0.00 0.84 0.05 0.00 0.36 0.00 0.00 54.97 56.22 2k2r s GLU 39 Cb 0.00 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2k2r s GLU 39 CO 0.00 -0.22 0.27 0.54 -0.54 0.00 0.00 175.26 175.31 2k2r s VAL 40 N 2.70 4.96 0.00 3.70 0.11 -1.26 -5.01 120.40 125.59 2k2r s VAL 40 Ca 0.01 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 2k2r s VAL 40 Cb -0.09 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2k2r s VAL 40 CO -0.17 -0.27 0.00 0.41 -3.33 0.00 0.00 175.10 171.74 2k2r n THR 41 N -1.06 0.00 -3.77 5.04 -1.04 -1.26 -4.99 114.28 107.20 2k2r n THR 41 Ca -0.08 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.60 2k2r n THR 41 Cb 0.56 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.98 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N -1.00 2.80 0.20 -2.82 2.02 -1.26 -4.91 118.70 113.73 2k2r s GLU 42 Ca 0.00 -3.16 -0.10 0.00 0.02 0.00 0.00 54.97 51.72 2k2r s GLU 42 Cb 0.00 -3.69 0.25 0.00 0.10 0.00 0.00 34.13 30.79 2k2r s GLU 42 CO 0.00 -1.25 1.74 1.25 0.02 0.00 0.00 175.26 177.02 2k2r h LEU 43 N 5.95 0.19 -0.11 1.80 7.12 -1.94 0.47 115.31 128.79 2k2r h LEU 43 Ca 0.11 0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.22 2k2r h LEU 43 Cb 0.81 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.96 2k2r h LEU 43 CO 0.78 0.12 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.45 2k2r h GLU 44 N 0.38 -0.44 0.00 1.25 5.08 -1.89 -0.72 114.58 118.25 2k2r h GLU 44 Ca 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2k2r h GLU 44 Cb 0.35 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k2r h GLU 44 CO -0.30 -0.29 0.00 0.25 -1.00 0.00 0.00 179.01 177.67 2k2r n THR 45 N -4.80 0.00 0.27 1.13 -2.24 -1.01 -2.93 114.28 104.71 2k2r n THR 45 Ca -0.05 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.89 2k2r n THR 45 Cb 0.30 -0.58 0.53 0.00 -2.10 0.00 0.00 70.33 68.48 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k2r h GLN 46 N 0.00 0.00 0.00 -0.78 1.08 0.68 -1.74 115.11 114.35 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2k2r h GLN 46 CO 0.00 0.00 -1.31 1.19 -0.95 0.00 0.00 178.83 177.76 2k2r n PHE 47 N -3.04 0.23 0.21 2.96 3.01 -1.15 -3.26 117.46 116.41 2k2r n PHE 47 Ca 0.02 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2k2r n PHE 47 Cb 0.37 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.95 1.39 -0.64 4.37 0.00 -0.65 -1.35 120.51 121.68 2k2r n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k2r n ALA 48 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.50 0.00 -0.77 0.00 5.68 -1.26 -4.97 116.55 115.72 2k2r n ASP 49 Ca 0.00 -0.21 -0.00 0.00 -0.50 0.00 0.00 54.79 54.07 2k2r n ASP 49 Cb 0.06 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N 0.00 0.05 0.04 6.12 0.00 -0.46 -4.71 105.19 106.23 2k2r n GLY 50 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.88 -2.93 116.25 115.12 2k2r h VAL 51 Ca -0.01 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2k2r h VAL 51 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2k2r h VAL 51 CO 0.01 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.38 2k2r n TYR 52 N -4.13 0.37 0.16 1.57 4.02 -1.26 -2.14 117.16 115.75 2k2r n TYR 52 Ca -0.00 0.19 -0.08 0.00 -0.01 0.00 0.00 57.90 58.00 2k2r n TYR 52 Cb 0.02 -0.81 -0.04 0.00 -0.02 0.00 0.00 39.34 38.49 2k2r n TYR 52 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2k2r h LEU 53 N 0.00 -0.42 -1.92 7.72 5.85 -1.75 -2.77 115.31 122.02 2k2r h LEU 53 Ca 0.00 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.88 2k2r h LEU 53 Cb 0.00 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2k2r h LEU 53 CO 0.00 -0.00 0.38 0.58 -0.34 0.00 0.00 178.44 179.06 2k2r h VAL 54 N -1.08 0.77 0.78 1.05 2.07 -1.23 -1.95 116.25 116.65 2k2r h VAL 54 Ca -0.05 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2k2r h VAL 54 Cb 0.38 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2k2r h VAL 54 CO 0.08 0.02 -0.47 -0.07 0.02 0.00 0.00 177.57 177.15 2k2r h LEU 55 N 0.08 -1.19 -1.34 2.57 -0.00 -1.46 -2.38 115.31 111.60 2k2r h LEU 55 Ca 0.26 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.37 2k2r h LEU 55 Cb 0.91 0.34 -0.07 0.00 -0.00 0.00 0.00 40.66 41.85 2k2r h LEU 55 CO -0.02 -0.73 0.58 0.17 -0.00 0.00 0.00 178.44 178.43 2k2r h LEU 56 N -1.17 0.58 -0.46 1.67 8.10 -1.07 -1.59 115.31 121.37 2k2r h LEU 56 Ca -0.10 0.04 0.05 0.00 0.11 0.00 0.00 57.88 57.98 2k2r h LEU 56 Cb 0.94 -0.07 -0.04 0.00 -0.44 0.00 0.00 40.66 41.05 2k2r h LEU 56 CO 0.11 0.27 0.21 0.24 -4.11 0.00 0.00 178.44 175.16 2k2r h MET 57 N 0.60 0.40 -0.03 0.17 2.86 -1.10 -1.43 114.93 116.40 2k2r h MET 57 Ca 0.46 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.86 2k2r h MET 57 Cb 0.87 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 32.45 2k2r h MET 57 CO -0.21 0.27 -0.83 0.78 1.06 0.00 0.00 176.91 177.98 2k2r h GLY 58 N 0.42 0.69 2.00 8.32 0.00 -1.01 -2.76 103.07 110.72 2k2r h GLY 58 Ca 0.21 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2k2r h GLY 58 CO -0.17 1.01 0.00 1.41 0.00 0.00 0.00 176.54 178.79 2k2r h LEU 59 N 0.25 0.00 0.01 3.11 3.38 -1.25 0.44 115.31 121.24 2k2r h LEU 59 Ca -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2k2r h LEU 59 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k2r h LEU 59 CO 0.16 0.00 -0.15 0.25 0.09 0.00 0.00 178.44 178.79 2k2r h LEU 60 N 0.00 0.12 -0.23 1.67 7.12 -1.10 -3.25 115.31 119.64 2k2r h LEU 60 Ca 0.00 -0.84 0.02 0.00 0.13 0.00 0.00 57.88 57.19 2k2r h LEU 60 Cb 0.10 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.17 2k2r h LEU 60 CO 0.00 0.94 0.10 -0.08 -0.13 0.00 0.00 178.44 179.27 2k2r h GLU 61 N -0.69 0.21 0.00 1.25 4.22 -0.67 -3.48 114.58 115.43 2k2r h GLU 61 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2k2r h GLU 61 Cb 0.97 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k2r h GLU 61 CO 0.03 0.14 0.00 0.41 -2.18 0.00 0.00 179.01 177.41 2k2r n GLY 62 N -1.17 0.87 2.68 1.92 0.00 0.13 -5.06 105.19 104.55 2k2r n GLY 62 Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 2k2r n GLY 62 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k2r n TYR 63 N 0.00 -1.23 -0.70 1.61 4.19 -1.24 -5.06 117.16 114.74 2k2r n TYR 63 Ca 0.00 -1.20 0.07 0.00 3.31 0.00 0.00 57.90 60.08 2k2r n TYR 63 Cb 0.00 1.35 -0.02 0.00 0.49 0.00 0.00 39.34 41.16 2k2r n TYR 63 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2k2r n PHE 64 N -0.36 -2.49 -3.37 2.98 3.01 -1.26 -4.83 117.46 111.14 2k2r n PHE 64 Ca -0.15 0.61 -0.16 0.00 1.01 0.00 0.00 57.45 58.76 2k2r n PHE 64 Cb 0.73 -1.12 -0.08 0.00 -0.01 0.00 0.00 39.48 39.00 2k2r n PHE 64 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2k2r s VAL 65 N -1.30 -0.43 0.74 -4.37 1.01 -1.26 -4.61 120.40 110.18 2k2r s VAL 65 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2k2r s VAL 65 Cb 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2k2r s VAL 65 CO 0.00 -0.46 1.10 -2.65 0.00 0.00 0.00 175.10 173.08 2k2r n PRO 66 N 5.04 0.51 0.02 2.72 -0.02 -1.26 -4.95 135.00 137.06 2k2r n PRO 66 Ca 0.02 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2k2r n PRO 66 Cb 0.47 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N -0.32 -0.12 -1.34 2.45 -0.00 -2.01 -3.15 115.31 110.81 2k2r h LEU 67 Ca -0.48 -0.45 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 2k2r h LEU 67 Cb 1.32 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2k2r h LEU 67 CO 0.48 0.51 0.00 1.57 -0.00 0.00 0.00 178.44 181.00 2k2r n HIS 68 N -4.85 0.00 0.05 1.13 -0.00 -1.26 -3.11 115.22 107.18 2k2r n HIS 68 Ca -0.07 -0.09 -0.12 0.00 0.46 0.00 0.00 57.72 57.89 2k2r n HIS 68 Cb 0.28 -0.10 -0.13 0.00 -0.12 0.00 0.00 29.99 29.92 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2k2r h SER 69 N 0.62 0.19 0.00 0.26 0.87 -1.92 -3.46 113.55 110.11 2k2r h SER 69 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2k2r h SER 69 Cb 0.36 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k2r h SER 69 CO 0.00 1.21 0.00 2.22 -0.53 0.00 0.00 176.83 179.73 2k2r n PHE 70 N -3.34 0.00 -4.49 2.24 -1.74 -1.18 -5.10 117.46 103.84 2k2r n PHE 70 Ca -0.11 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.53 2k2r n PHE 70 Cb 1.01 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.91 2k2r n PHE 70 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2k2r s PHE 71 N 3.67 2.40 0.00 2.97 0.40 -1.26 -5.13 117.98 121.02 2k2r s PHE 71 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2k2r s PHE 71 Cb 0.00 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2k2r s PHE 71 CO 0.00 0.61 0.00 1.28 0.70 0.00 0.00 175.22 177.81 2k2r n LEU 72 N -0.76 0.00 -4.75 -0.37 4.77 -1.26 -4.89 117.00 109.73 2k2r n LEU 72 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 2k2r n LEU 72 Cb 0.62 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2k2r n LEU 72 CO 0.42 -1.34 0.68 0.42 -1.33 0.00 0.00 177.39 176.24 2k2r s THR 73 N -0.73 3.95 0.29 -5.08 -4.23 -1.26 -4.98 115.64 103.59 2k2r s THR 73 Ca 0.00 1.95 -0.30 0.00 -1.18 0.00 0.00 61.69 62.16 2k2r s THR 73 Cb 0.00 -4.23 -0.12 0.00 1.34 0.00 0.00 72.50 69.49 2k2r s THR 73 CO 0.00 0.45 1.51 -0.81 -0.54 0.00 0.00 174.62 175.24 2k2r n PRO 74 N 1.38 2.46 -0.12 3.99 -0.04 -1.26 -4.91 135.00 136.50 2k2r n PRO 74 Ca -0.02 0.88 -0.17 0.00 -0.04 0.00 0.00 63.50 64.15 2k2r n PRO 74 Cb 0.47 -2.60 -0.11 0.00 -0.04 0.00 0.00 33.50 31.22 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2r n ASP 75 N 1.98 2.14 -1.76 3.54 -0.08 -1.26 -4.97 116.55 116.14 2k2r n ASP 75 Ca 0.09 -0.09 -0.03 0.00 -1.51 0.00 0.00 54.79 53.26 2k2r n ASP 75 Cb 0.35 -0.40 -0.01 0.00 2.34 0.00 0.00 41.12 43.40 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k2r n SER 76 N -3.27 1.05 0.36 1.67 3.41 -1.26 -5.03 113.62 110.55 2k2r n SER 76 Ca -0.42 -1.23 -0.16 0.00 -0.26 0.00 0.00 58.87 56.80 2k2r n SER 76 Cb 0.93 0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 1.07 -0.86 -0.98 7.33 3.57 -1.99 -2.67 116.94 122.42 2k2r h PHE 77 Ca -0.03 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.73 2k2r h PHE 77 Cb 0.13 0.28 -0.14 0.00 2.79 0.00 0.00 35.95 39.01 2k2r h PHE 77 CO 0.00 -0.50 0.51 1.49 -2.23 0.00 0.00 178.31 177.57 2k2r h GLU 78 N -1.11 0.35 0.00 1.11 4.81 -1.98 1.25 114.58 119.02 2k2r h GLU 78 Ca -0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 2k2r h GLU 78 Cb 0.74 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2k2r h GLU 78 CO 0.16 0.23 -0.25 1.96 -0.73 0.00 0.00 179.01 180.37 2k2r h GLN 79 N 0.36 0.00 0.00 1.92 4.20 -1.92 -1.18 115.11 118.49 2k2r h GLN 79 Ca 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.38 2k2r h GLN 79 Cb 1.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2k2r h GLN 79 CO -0.58 0.25 -0.03 0.87 -0.67 0.00 0.00 178.83 178.67 2k2r h LYS 80 N 0.00 0.01 -0.40 1.46 1.57 0.18 -2.52 116.57 116.87 2k2r h LYS 80 Ca -0.00 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2k2r h LYS 80 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2k2r h LYS 80 CO 0.03 0.97 0.44 0.28 -0.57 0.00 0.00 179.45 180.60 2k2r h VAL 81 N -0.93 0.37 0.21 0.50 2.07 -0.65 0.11 116.25 117.92 2k2r h VAL 81 Ca -0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 81 Cb 0.98 0.65 0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2k2r h VAL 81 CO 0.01 0.00 -1.68 0.25 0.02 0.00 0.00 177.57 176.16 2k2r h LEU 82 N 0.00 0.68 -1.79 2.57 5.85 -1.19 -0.61 115.31 120.82 2k2r h LEU 82 Ca 0.19 -0.93 0.04 0.00 0.84 0.00 0.00 57.88 58.02 2k2r h LEU 82 Cb 1.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2k2r h LEU 82 CO -0.00 1.77 0.22 -1.13 -0.34 0.00 0.00 178.44 178.96 2k2r h ASN 83 N 0.12 0.23 0.60 1.25 -0.73 -0.55 -0.35 115.58 116.15 2k2r h ASN 83 Ca -0.32 -0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.57 2k2r h ASN 83 Cb 2.12 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 40.62 2k2r h ASN 83 CO 0.21 0.16 -1.52 0.58 -0.37 0.00 0.00 177.43 176.48 2k2r h VAL 84 N 0.27 1.09 0.00 2.57 2.07 -1.40 -2.95 116.25 117.90 2k2r h VAL 84 Ca 0.14 -2.88 -0.03 0.00 0.82 0.00 0.00 66.70 64.75 2k2r h VAL 84 Cb 0.23 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k2r h VAL 84 CO -0.03 0.67 -0.12 -1.28 0.02 0.00 0.00 177.57 176.83 2k2r h SER 85 N 0.01 0.00 0.13 0.57 0.87 0.02 0.80 113.55 115.95 2k2r h SER 85 Ca -0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2k2r h SER 85 Cb 1.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 2k2r h SER 85 CO 0.10 0.12 -0.06 0.15 -0.53 0.00 0.00 176.83 176.61 2k2r h PHE 86 N 0.00 -0.16 -0.37 2.24 3.57 -1.13 -0.49 116.94 120.60 2k2r h PHE 86 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2k2r h PHE 86 Cb 0.28 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2k2r h PHE 86 CO 0.00 0.19 0.26 0.00 -2.23 0.00 0.00 178.31 176.53 2k2r h ALA 87 N -0.61 2.24 0.00 2.41 0.00 -1.32 1.20 119.26 123.18 2k2r h ALA 87 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2r h ALA 87 CO 0.03 -0.34 -0.03 0.35 0.00 0.00 0.00 179.25 179.26 2k2r h PHE 88 N 0.08 0.00 0.12 0.00 3.04 -0.81 -1.58 116.94 117.79 2k2r h PHE 88 Ca 0.17 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.96 2k2r h PHE 88 Cb 0.58 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.11 2k2r h PHE 88 CO -0.00 0.03 -0.72 0.93 -2.02 0.00 0.00 178.31 176.53 2k2r h GLU 89 N 0.00 0.26 0.00 1.11 4.39 0.31 -0.39 114.58 120.26 2k2r h GLU 89 Ca -0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2k2r h GLU 89 Cb 0.78 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2k2r h GLU 89 CO 0.00 1.21 0.00 -0.07 -1.16 0.00 0.00 179.01 178.99 2k2r h LEU 90 N -0.46 0.00 0.07 1.33 3.38 -1.17 -2.44 115.31 116.02 2k2r h LEU 90 Ca -0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 2k2r h LEU 90 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2k2r h LEU 90 CO 0.13 0.00 -1.14 0.24 0.09 0.00 0.00 178.44 177.76 2k2r h MET 91 N 0.00 0.14 -0.65 1.13 2.86 -1.26 0.78 114.93 117.93 2k2r h MET 91 Ca 0.00 -0.24 0.19 0.00 -2.06 0.00 0.00 59.70 57.59 2k2r h MET 91 Cb 0.49 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2k2r h MET 91 CO 0.00 1.11 0.49 0.37 1.06 0.00 0.00 176.91 179.94 2k2r h GLN 92 N -0.60 0.00 0.00 1.72 4.15 -0.92 0.50 115.11 119.96 2k2r h GLN 92 Ca -0.26 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 2k2r h GLN 92 Cb 1.52 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 2k2r h GLN 92 CO -0.02 0.00 -1.01 -3.47 -1.93 0.00 0.00 178.83 172.40 2k2r n ASP 93 N -4.24 1.84 0.00 -0.69 -0.08 -0.93 -3.86 116.55 108.59 2k2r n ASP 93 Ca 0.13 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 2k2r n ASP 93 Cb 0.74 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2k2r n ASP 93 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2r n GLY 94 N 1.50 -0.06 0.00 0.27 0.00 0.27 -4.86 105.19 102.31 2k2r n GLY 94 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -1.01 0.65 5.05 -0.02 0.00 0.17 -4.98 105.19 105.05 2k2r n GLY 95 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 -1.54 0.99 7.94 -1.22 -4.13 117.00 119.05 2k2r n LEU 96 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2k2r n LEU 96 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2k2r n LEU 96 CO 0.00 0.00 -0.58 -0.62 -1.11 0.00 0.00 177.39 175.08 2k2r n GLU 97 N 0.00 -3.76 -3.63 1.96 1.02 -1.26 -4.79 120.64 110.18 2k2r n GLU 97 Ca 0.00 3.00 -0.23 0.00 -0.02 0.00 0.00 57.16 59.91 2k2r n GLU 97 Cb 0.00 -4.02 0.00 0.00 -0.02 0.00 0.00 31.44 27.40 2k2r n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2r n LYS 98 N -3.60 -1.10 -1.20 3.49 5.02 -1.26 -4.90 118.16 114.61 2k2r n LYS 98 Ca -0.05 0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 2k2r n LYS 98 Cb 0.60 -1.77 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k2r s PRO 99 N -4.84 1.30 0.04 1.97 0.04 -1.26 -5.02 135.00 127.22 2k2r s PRO 99 Ca 0.07 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2k2r s PRO 99 Cb -0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2k2r s PRO 99 CO 0.73 -2.22 0.00 1.63 0.04 0.00 0.00 177.00 177.18 2k2r n LYS 100 N -3.87 0.00 -0.30 4.56 5.02 -1.26 -5.11 118.16 117.19 2k2r n LYS 100 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k2r n LYS 100 Cb 0.55 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k2r n PRO 101 N -2.75 0.31 -4.22 1.97 -0.04 -1.26 -5.11 135.00 123.90 2k2r n PRO 101 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2k2r n PRO 101 Cb 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.44 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N -2.67 0.95 0.64 0.54 0.52 -1.26 -4.99 118.95 112.69 2k2r s ARG 102 Ca 0.00 -1.06 0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2k2r s ARG 102 Cb 0.00 -1.04 0.48 0.00 0.52 0.00 0.00 34.95 34.91 2k2r s ARG 102 CO 0.00 0.23 1.20 -1.35 0.02 0.00 0.00 175.30 175.40 2k2r h PRO 103 N 4.13 0.00 0.03 3.54 0.11 -1.90 0.68 132.00 138.59 2k2r h PRO 103 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k2r h PRO 103 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k2r h PRO 103 CO 0.41 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.12 2k2r h GLU 104 N 0.00 -0.04 -1.73 1.05 5.08 -1.94 -2.82 114.58 114.18 2k2r h GLU 104 Ca 0.17 0.00 0.50 0.00 -1.00 0.00 0.00 59.36 59.04 2k2r h GLU 104 Cb 2.19 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.38 2k2r h GLU 104 CO -0.00 0.13 1.35 -0.44 -1.00 0.00 0.00 179.01 179.04 2k2r h ASP 105 N -1.01 0.00 0.00 1.42 3.32 -0.01 0.88 116.42 121.03 2k2r h ASP 105 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k2r h ASP 105 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2k2r h ASP 105 CO 0.01 0.00 -0.01 0.40 -1.72 0.00 0.00 179.24 177.92 2k2r h ILE 106 N 0.00 0.00 -1.32 0.35 1.08 -1.53 -3.24 117.51 112.85 2k2r h ILE 106 Ca 0.82 -0.14 0.39 0.00 -0.39 0.00 0.00 64.86 65.54 2k2r h ILE 106 Cb 3.51 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 37.17 2k2r h ILE 106 CO -0.01 0.00 0.89 0.58 -0.69 0.00 0.00 178.15 178.93 2k2r h VAL 107 N -0.14 0.28 0.00 1.67 2.07 -0.75 0.25 116.25 119.63 2k2r h VAL 107 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k2r h VAL 107 Cb 0.01 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2k2r h VAL 107 CO 0.00 0.02 0.00 -3.20 0.02 0.00 0.00 177.57 174.41 2k2r n ASN 108 N -4.43 0.04 0.00 0.57 2.85 0.29 -4.29 115.26 110.29 2k2r n ASN 108 Ca 0.32 -0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 2k2r n ASN 108 Cb 1.34 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 42.34 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -1.07 3.88 -0.09 0.00 -4.77 -1.22 -4.76 116.67 108.64 2k2r s ASP 110 Ca 0.00 2.46 -0.09 0.00 -3.30 0.00 0.00 52.55 51.62 2k2r s ASP 110 Cb 0.00 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.20 2k2r s ASP 110 CO 0.00 -2.48 -0.17 0.18 0.70 0.00 0.00 175.17 173.41 2k2r n LEU 111 N -2.87 0.97 0.00 2.11 4.77 -1.26 -4.18 117.00 116.54 2k2r n LEU 111 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2k2r n LEU 111 Cb 0.50 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2k2r n LEU 111 CO 0.48 -0.40 0.20 1.17 -1.33 0.00 0.00 177.39 177.51 2k2r n LYS 112 N -3.48 0.00 0.30 3.23 4.81 -1.26 -0.46 118.16 121.30 2k2r n LYS 112 Ca -0.07 0.39 -0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2k2r n LYS 112 Cb 0.25 -0.65 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k2r h SER 113 N 0.00 -0.65 -1.15 3.14 4.64 -1.88 -2.74 113.55 114.92 2k2r h SER 113 Ca 0.00 -0.03 0.37 0.00 -0.47 0.00 0.00 61.79 61.67 2k2r h SER 113 Cb 0.00 0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.12 2k2r h SER 113 CO 0.00 -0.37 0.71 0.00 -0.87 0.00 0.00 176.83 176.30 2k2r h THR 114 N -0.90 0.22 -0.26 2.95 1.03 -1.62 0.89 112.91 115.22 2k2r h THR 114 Ca -0.08 -0.07 -0.04 0.00 -0.01 0.00 0.00 66.41 66.21 2k2r h THR 114 Cb 0.63 0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 2k2r h THR 114 CO 0.13 0.04 -0.00 -0.07 -0.01 0.00 0.00 175.52 175.60 2k2r h LEU 115 N 0.19 0.45 -0.48 0.00 3.38 -0.53 -2.30 115.31 116.02 2k2r h LEU 115 Ca 0.76 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.52 2k2r h LEU 115 Cb 2.11 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 42.64 2k2r h LEU 115 CO -0.50 0.65 -0.28 0.03 0.09 0.00 0.00 178.44 178.43 2k2r h ARG 116 N 0.23 -0.17 0.21 1.13 3.08 0.11 0.44 114.38 119.41 2k2r h ARG 116 Ca 0.07 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2k2r h ARG 116 Cb 0.42 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2k2r h ARG 116 CO 0.01 -0.11 -0.10 0.28 -1.07 0.00 0.00 179.97 178.98 2k2r h VAL 117 N -0.17 0.88 -0.99 2.04 2.07 -1.43 -2.53 116.25 116.12 2k2r h VAL 117 Ca 0.21 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.22 2k2r h VAL 117 Cb 0.52 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2k2r h VAL 117 CO -0.58 0.13 0.64 -0.07 0.02 0.00 0.00 177.57 177.70 2k2r h LEU 118 N -0.58 1.00 0.01 2.57 3.38 -1.13 -0.52 115.31 120.05 2k2r h LEU 118 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2k2r h LEU 118 Cb 0.43 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2k2r h LEU 118 CO 0.05 0.62 -0.16 0.22 0.09 0.00 0.00 178.44 179.25 2k2r h TYR 119 N 1.12 -0.42 -1.12 1.13 3.20 -0.86 0.12 116.97 120.13 2k2r h TYR 119 Ca 0.44 0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.66 2k2r h TYR 119 Cb 0.24 0.19 -0.12 0.00 1.54 0.00 0.00 36.73 38.57 2k2r h TYR 119 CO -0.00 -0.24 0.70 -0.97 -1.64 0.00 0.00 178.16 176.01 2k2r h ASN 120 N -0.28 0.40 0.17 -2.11 -1.24 -0.67 -1.05 115.58 110.81 2k2r h ASN 120 Ca 0.05 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 2k2r h ASN 120 Cb 0.34 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2k2r h ASN 120 CO -0.15 -0.08 -0.08 -0.07 -1.29 0.00 0.00 177.43 175.76 2k2r h LEU 121 N 0.27 -0.19 -1.69 0.34 3.38 -0.18 -2.84 115.31 114.40 2k2r h LEU 121 Ca 0.72 0.01 0.48 0.00 0.09 0.00 0.00 57.88 59.17 2k2r h LEU 121 Cb 1.93 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.66 2k2r h LEU 121 CO -0.44 0.05 1.34 0.15 0.09 0.00 0.00 178.44 179.63 2k2r h PHE 122 N -0.59 0.00 0.06 1.13 3.57 -0.45 1.13 116.94 121.78 2k2r h PHE 122 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k2r h PHE 122 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2k2r h PHE 122 CO 0.03 0.00 -0.03 1.15 -2.23 0.00 0.00 178.31 177.23 2k2r h THR 123 N 0.00 1.26 0.00 4.41 2.02 -1.21 -1.02 112.91 118.37 2k2r h THR 123 Ca 0.78 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2k2r h THR 123 Cb 3.45 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 71.97 2k2r h THR 123 CO -0.01 0.32 -0.06 0.11 0.37 0.00 0.00 175.52 176.26 2k2r h LYS 124 N -0.72 0.00 0.00 6.66 1.57 0.15 -3.31 116.57 120.92 2k2r h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k2r h LYS 124 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2k2r h LYS 124 CO 0.01 0.06 -1.14 0.66 -0.57 0.00 0.00 179.45 178.47 2k2r n TYR 125 N -3.13 0.00 -0.58 -1.35 4.02 -0.04 -4.52 117.16 111.56 2k2r n TYR 125 Ca 0.02 0.00 0.47 0.00 -0.01 0.00 0.00 57.90 58.39 2k2r n TYR 125 Cb 0.47 -0.16 0.79 0.00 -0.02 0.00 0.00 39.34 40.42 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.00 0.00 -0.72 2.43 -1.27 2.51 114.38 117.33 2k2r h ARG 126 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2k2r h ARG 126 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k2r h ARG 126 CO 0.00 0.00 -0.99 -0.91 -1.51 0.00 0.00 179.97 176.56 2k2r h ASN 127 N 0.00 0.00 -2.88 -3.80 2.35 -1.82 -3.45 115.58 105.99 2k2r h ASN 127 Ca 0.81 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.93 2k2r h ASN 127 Cb 3.31 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 41.61 2k2r h ASN 127 CO -0.01 0.20 -0.36 -0.69 -1.65 0.00 0.00 177.43 174.92 2k2r s VAL 128 N -3.20 5.31 -2.00 2.81 1.01 0.84 -5.23 120.40 119.94 2k2r s VAL 128 Ca -0.00 0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.56 2k2r s VAL 128 Cb 0.09 -3.54 0.32 0.00 0.00 0.00 0.00 36.38 33.24 2k2r s VAL 128 CO 0.78 0.57 1.10 -0.62 0.00 0.00 0.00 175.10 176.93